O-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] pentanethioate

Systemtic Name: O-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] pentanethioate Openeye Name: O-[[(2S)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino] pentanethioate CAS Name: pentanethioic acid O-[[(2S)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: O-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino] pentanethioate Traditional Name: pentanethioic acid O-[[(2S)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=S)ONC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCCCC(=S)ONC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C17H23NO3S2/c1-3-4-10-16(22)21-18-17(20)15(12-23-13(2)19)11-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3,(H,18,20)/t15-/m1/s1